SCHEMBL10288264

SCHEMBL10288264

C=C1COc2ccc(NC(=O)NCCC(=O)O)cc2C(=C/CCN2CCC(O)(c3ccc(Cl)cc3)CC2)/C1=C/C=C\C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 7/20 0.38
▸ CCR1 P32246 7/20 0.38
▸ DRD2 P14416 7/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12121740 0.86 CCR1 (0.37) CCR1DRD2ALDH1A1SMN1; SMN2
SCHEMBL14420129 0.83 OPRM1 (0.39) CCR1DRD2DRD3
SCHEMBL12121744 0.82 DRD2 (0.39) CCR1DRD2DRD3
SCHEMBL13824277 0.82 CCR1 (0.40) CCR1DRD2DRD3
SCHEMBL12121691 0.82 CCR1 (0.41) CCR1DRD2DRD3
SCHEMBL14420162 0.81 CCR1 (0.54) CCR3CCR1DRD2DRD3SMN1; SMN2
SCHEMBL13824486 0.80 CCR1 (0.39) CCR1DRD2
SCHEMBL13824278 0.78 CCR1 (0.38) CCR1DRD2
SCHEMBL13824271 0.77 CCR1 (0.38) CCR1DRD2DRD3
SCHEMBL14579853 0.77 CCR1 (0.37) CCR1DRD2DRD3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 — — US disclosed
US-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR3 12/4885CCR1 9/4885DRD2 3118/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback